[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

InChI

InChI=1S/C25H24N2O6/c1-15-9-19(16(2)27(15)12-18-7-5-4-6-8-18)25(30)31-13-24(29)26-21-11-23-22(32-14-33-23)10-20(21)17(3)28/h4-11H,12-14H2,1-3H3,(H,26,29)